Research chemical
CAS Number: 287737-45-5
![N-{9-[(1R,5R,7R,8S)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-8-({[bis(propan-2-yl)amino](2-cyanoethoxy)phosphanyl}oxy)-2,6-dioxabicyclo[3.2.1]octan-7-yl]-9H-purin-6-yl}benzamide molecular structure, CAS 287737-45-5](/structure-images/287737-45-5.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
66584287
Exact Mass
899.377149
InChIKey
IUGJZRODLODQAN-QLRWGQFGSA-N
IUPAC Name
N-[9-[(1R,5R,7R,8S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-8-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2,6-dioxabicyclo[3.2.1]octan-7-yl]purin-6-yl]benzamide
SMILES String
COc1ccc(C(OC[C@@]23CCO[C@@H]([C@H](n4cnc5c(NC(=O)c6ccccc6)ncnc54)O2)[C@@H]3OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
N-{9-[(1R,5R,7R,8S)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-8-({[bis(propan-2-yl)amino](2-cyanoethoxy)phosphanyl}oxy)-2,6-dioxabicyclo[3.2.1]octan-7-yl]-9H-purin-6-yl}benzamide is identified by CAS 287737-45-5, with molecular formula C49H54N7O8P, molecular weight 900, InChIKey IUGJZRODLODQAN-QLRWGQFGSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Ordering
Quote required
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No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
65
H-bond acceptors
15
H-bond donors
1
Rotatable bonds
19
Ring count
8
Aromatic rings
6
Topological polar surface area
164.34 Ų
Computed LogP
8.82
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
phosphine ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
Yes
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
N-{9-[(1R,5R,7R,8S)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-8-({[bis(propan-2-yl)amino](2-cyanoethoxy)phosphanyl}oxy)-2,6-dioxabicyclo[3. 2.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle, phosphine-ligand motif.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.